Data quality metrics extracted from 2a9a.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "bccc28ae2d76c9e579bc9be2cab6e459",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.001,
    "b": 123.170,
    "c": 55.482,
    "alpha": 90.0,
    "beta": 94.7,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.00],
    "number_observations_unique": 48006,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "Completeness",
        "value": 99.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations": 4468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.553
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.07],
      "number_observations": 4826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.464
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.15],
      "number_observations": 4777,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.331
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.25],
      "number_observations": 4831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.37],
      "number_observations": 4834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.52],
      "number_observations": 4830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.71],
      "number_observations": 4848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.99],
      "number_observations": 4821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        }
      ]
    },
    {
      "resolution_limits": [4.31,3.42],
      "number_observations": 4855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        }
      ]
    },
    {
      "resolution_limits": [30.00,4.31],
      "number_observations": 4916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):